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BioLiP

PDB CCD ID: ODK
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N3 O2
InChI: InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)
InChIKey: SJBWHTBPIJXUFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(nn1)c2ncccc2
OpenEye OEToolkits 1.7.0c1ccnc(c1)c2cc([nH]n2)C(=O)O
CACTVS 3.370OC(=O)c1[nH]nc(c1)c2ccccn2
Name:3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid;
5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid
ChEMBL: CHEMBL1234945
ZINC: ZINC000002544993
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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